propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C22H25NO3S2/c1-15(2)26-20(24)14-19(16-6-4-3-5-7-16)23-21(25)17-8-10-18(11-9-17)22-27-12-13-28-22/h3-11,15,19,22H,12-14H2,1-2H3,(H,23,25)